6-(2-fluorophenoxy)-5-nitropyrimidin-4-amine

C10H7FN4O3 — CID 2959353

IUPAC6-(2-fluorophenoxy)-5-nitropyrimidin-4-amine
SMILESNc1ncnc(Oc2ccccc2F)c1[N+](=O)[O-]
InChIInChI=1S/C10H7FN4O3/c11-6-3-1-2-4-7(6)18-10-8(15(16)17)9(12)13-5-14-10/h1-5H,(H2,12,13,14)
InChIKeyXRSVZZKDEGCQMC-UHFFFAOYSA-N
MW250.19 g/mol
LogP1.90
Rot. Bonds3

About 6-(2-fluorophenoxy)-5-nitropyrimidin-4-amine

6-(2-fluorophenoxy)-5-nitropyrimidin-4-amine (PubChem CID 2959353) has the molecular formula C10H7FN4O3 and a molecular weight of 250.19 g/mol. Its IUPAC name is 6-(2-fluorophenoxy)-5-nitropyrimidin-4-amine.

Molecular Properties

Compound Name6-(2-fluorophenoxy)-5-nitropyrimidin-4-amine
PubChem CID2959353
Molecular FormulaC10H7FN4O3
Molecular Weight250.19 g/mol
Exact Mass250.05
IUPAC Name6-(2-fluorophenoxy)-5-nitropyrimidin-4-amine
SMILESNc1ncnc(Oc2ccccc2F)c1[N+](=O)[O-]
InChIInChI=1S/C10H7FN4O3/c11-6-3-1-2-4-7(6)18-10-8(15(16)17)9(12)13-5-14-10/h1-5H,(H2,12,13,14)
InChIKeyXRSVZZKDEGCQMC-UHFFFAOYSA-N
XLogP1.90
TPSA104.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.19
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

6-Benzyloxy-5-nitro-pyrimidine-2,4-diamine
CID 9860003
6-(3,4-Dimethylphenoxy)-5-nitropyrimidin-4-amine
CID 2959331
6-(4-Ethylphenoxy)-5-nitropyrimidin-4-amine
CID 2960274
6-(4-Methylphenoxy)-5-nitropyrimidin-4-amine
CID 3454625
5-Nitro-6-[3-(trifluoromethyl)phenoxy]pyrimidin-4-amine
CID 3624346
5-Nitroso-6-(4-fluorobenzyloxy)pyrimidine-2,4-diamine
CID 10264728
6-(4-Fluoro-benzyloxy)-5-nitro-pyrimidine-2,4-diamine
CID 10731331
6-(2-Methylphenoxy)-5-nitropyrimidin-4-amine
CID 4131957
4-[4-(2-Fluorophenoxy)-6-methyl-5-nitropyrimidin-2-yl]morpholine
CID 3810543
4-(3-Methoxyphenoxy)-5-nitro-2-pyrimidinamine
CID 4136110
6-(3-Methoxyphenoxy)-5-nitropyrimidin-4-amine
CID 4357650
4-(2-Fluorophenoxy)-5-nitropyrimidin-2-amine
CID 4431891

Frequently Asked Questions

What is the IUPAC name of 6-(2-fluorophenoxy)-5-nitropyrimidin-4-amine?
The IUPAC name of 6-(2-fluorophenoxy)-5-nitropyrimidin-4-amine (CID 2959353) is 6-(2-fluorophenoxy)-5-nitropyrimidin-4-amine.
What is the SMILES notation for 6-(2-fluorophenoxy)-5-nitropyrimidin-4-amine?
The canonical SMILES for 6-(2-fluorophenoxy)-5-nitropyrimidin-4-amine is Nc1ncnc(Oc2ccccc2F)c1[N+](=O)[O-].
What is the InChIKey of 6-(2-fluorophenoxy)-5-nitropyrimidin-4-amine?
The InChIKey is XRSVZZKDEGCQMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7FN4O3/c11-6-3-1-2-4-7(6)18-10-8(15(16)17)9(12)13-5-14-10/h1-5H,(H2,12,13,14).
What are the key properties of 6-(2-fluorophenoxy)-5-nitropyrimidin-4-amine?
6-(2-fluorophenoxy)-5-nitropyrimidin-4-amine has a molecular weight of 250.19 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-fluorophenoxy)-5-nitropyrimidin-4-amine is sourced from PubChem (CID 2959353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).